Ligand name: 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one
PDB ligand accession: 3IT
DrugBank: n/a
PubChem: 2808275
ChEMBL: CHEMBL4549174
InChI Key: AYEFINNLGCCCNK-UHFFFAOYSA-N
SMILES: CC(=C)C1=C(C(=O)C=CC=C1)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Hydrocarbon derivatives
    • Class: Tropones
      • Subclass: Tropolones

List of PDB structures and/or AlphaFold models with target protein Q99X63

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YRD	Download	Experimental	e4yrdA2 e4yrdA3 e4yrdB1 e4yrdB2	Rossmann-like jelly-roll Rossmann-like jelly-roll	LigPlot